UCSF

ZINC23234580

Substance Information

In ZINC since Heavy atoms Benign functionality
December 28th, 2008 31 No

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.70 6.63 -49.56 1 7 -1 100 416.457 5
Lo Low (pH 4.5-6) 3.24 8.4 -13.24 2 7 0 97 417.465 5
Lo Low (pH 4.5-6) 3.70 6.63 -49.21 1 7 -1 100 416.457 5

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )